Colloquium
| Description: |
Peter Entel (Univ. of Duisburg-Essen) Host: Sam Bose Simulations of Functional Magnetic Materials on Supercomputers Abstract: The recent passing of the petaflop/s landmark on the Roadrunner supercomputer at Los Alamos National Laboratory marks the preliminary peak of an impressive development in the high-performance computing sector. Also state-of-the-art supercomputers as the IBM Blue Gen/P at the Forschungszentrum J\"ulich allow nowadays to investigate large sysems of the order of 1000 spin polarized transition metal atoms by means of density functional theory. I will present two applications where large-scale ab initio calculations contribute to the understanding of key properties emerging from a close interrelation between structure and magnetism like the size dependent evolution of equilibrium structural motifs in elementary Fe and binary Fe-Pt and Co-Pt transition metal nanoparticles. In particular, the latter two materials may play an increasingly important role in future magnetic storing devices. As second example, I will address recent simulations of novel magnetic shape memory Heusler alloys. Technical reference: M. E. Gruner and P. Entel: "Simulating functional magnetic materials on supercomputers", J. Phys.: Condens. Matter 21, 293201 (2009) Intoductory reference: S. P. Gubin (ed.): "Magnetic Nanoparticles" (Wiley-VCH, Weinheim, New York, 2009) |
| Date: | Thursday, December 3, 2009 |
| Time: | 3:30pm-4:30pm |
| Duration: | 60 minutes |
| Priority: | Medium |
| Access: | Public |
| Created by: | Calendar Administrator |
| Updated: | Monday, November 9, 2009 4:23pm |
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